CID 3088319

Brn 5160607

Structural Information

Molecular Formula
C29H45ClN2O2
SMILES
CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OCC(=O)NN2C(=CC=C2C)C)Cl
InChI
InChI=1S/C29H45ClN2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-22-27(20-21-28(26)30)34-23-29(33)31-32-24(2)18-19-25(32)3/h18-22H,4-17,23H2,1-3H3,(H,31,33)
InChIKey
UCYFFECFOJSINL-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-pentadecylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.31696 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.32424 230.3
[M+Na]+ 511.30618 233.5
[M-H]- 487.30968 233.6
[M+NH4]+ 506.35078 239.2
[M+K]+ 527.28012 225.4
[M+H-H2O]+ 471.31422 220.3
[M+HCOO]- 533.31516 244.9
[M+CH3COO]- 547.33081 245.1
[M+Na-2H]- 509.29163 223.7
[M]+ 488.31641 240.2
[M]- 488.31751 240.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.